SCHEMBL19631082

SCHEMBL19631082

Cc1cc(C(F)(F)F)c2nc(NC(=O)c3cc(Cl)ccc3O)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 14/20 0.55
P2RX1 P51575 4/20 0.50
P2RX4 Q99571 3/20 0.47
P2RX7 Q99572 3/20 0.47
MEN1 O00255 1/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
KMT2A Q03164 1/20 0.47
MYLK Q15746 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
KCNMA1 Q12791 1/20 0.47
SLC2A1 P11166 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19612094 0.89 TMPRSS4 (0.52) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19612095 0.89 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL17770319 0.88 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL31237407 0.88 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19627231 0.86 P2RX1 (0.53) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19627233 0.86 MAPT (0.58) TMPRSS4P2RX1MEN1KMT2AKCNMA1
SCHEMBL19627237 0.86 KDM4E (0.46) TMPRSS4MEN1KMT2ACASP3SENP7
Monoethanolamine SCHEMBL19612104 0.82 TMPRSS4 (0.48) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19612110 0.80 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19627243 0.78 NPC1 (0.63) MEN1KMT2AMAP4K5CASP3SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 WO disclosed